2-[hydrazinyl-(2-propylpyrazol-3-yl)methyl]aniline

C13H19N5 — CID 105223752

IUPAC2-[hydrazinyl-(2-propylpyrazol-3-yl)methyl]aniline
SMILESCCCn1nccc1C(NN)c1ccccc1N
InChIInChI=1S/C13H19N5/c1-2-9-18-12(7-8-16-18)13(17-15)10-5-3-4-6-11(10)14/h3-8,13,17H,2,9,14-15H2,1H3
InChIKeyDZTGXAJILNCUAC-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.43
Rot. Bonds5

About 2-[hydrazinyl-(2-propylpyrazol-3-yl)methyl]aniline

2-[hydrazinyl-(2-propylpyrazol-3-yl)methyl]aniline (PubChem CID 105223752) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[hydrazinyl-(2-propylpyrazol-3-yl)methyl]aniline.

Molecular Properties

Compound Name2-[hydrazinyl-(2-propylpyrazol-3-yl)methyl]aniline
PubChem CID105223752
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name2-[hydrazinyl-(2-propylpyrazol-3-yl)methyl]aniline
SMILESCCCn1nccc1C(NN)c1ccccc1N
InChIInChI=1S/C13H19N5/c1-2-9-18-12(7-8-16-18)13(17-15)10-5-3-4-6-11(10)14/h3-8,13,17H,2,9,14-15H2,1H3
InChIKeyDZTGXAJILNCUAC-UHFFFAOYSA-N
XLogP1.43
TPSA81.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2-aminophenyl)-(2-propylpyrazol-3-yl)methanol
CID 64831998
[1-benzothiophen-3-yl-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 105307010
[2,3-dihydro-1,4-benzodioxin-5-yl-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 105306987
[(2-propylpyrazol-3-yl)-(1,2,5-thiadiazol-3-yl)methyl]hydrazine
CID 105306960
[(2,5-dimethoxyphenyl)-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 105306911
[(5-chloro-2-methoxyphenyl)-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 105307007
[(3-methyl-2-pyridinyl)-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 105209144
1-(2-fluorophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 63976399
[(4-ethylsulfanylphenyl)-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 106850622
[(5-bromo-2-pyridinyl)-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 105267665
[1-benzothiophen-2-yl-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 105306988
N-[(2-ethylphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine
CID 115857601

Frequently Asked Questions

What is the IUPAC name of 2-[hydrazinyl-(2-propylpyrazol-3-yl)methyl]aniline?
The IUPAC name of 2-[hydrazinyl-(2-propylpyrazol-3-yl)methyl]aniline (CID 105223752) is 2-[hydrazinyl-(2-propylpyrazol-3-yl)methyl]aniline.
What is the SMILES notation for 2-[hydrazinyl-(2-propylpyrazol-3-yl)methyl]aniline?
The canonical SMILES for 2-[hydrazinyl-(2-propylpyrazol-3-yl)methyl]aniline is CCCn1nccc1C(NN)c1ccccc1N.
What is the InChIKey of 2-[hydrazinyl-(2-propylpyrazol-3-yl)methyl]aniline?
The InChIKey is DZTGXAJILNCUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-2-9-18-12(7-8-16-18)13(17-15)10-5-3-4-6-11(10)14/h3-8,13,17H,2,9,14-15H2,1H3.
What are the key properties of 2-[hydrazinyl-(2-propylpyrazol-3-yl)methyl]aniline?
2-[hydrazinyl-(2-propylpyrazol-3-yl)methyl]aniline has a molecular weight of 245.33 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydrazinyl-(2-propylpyrazol-3-yl)methyl]aniline is sourced from PubChem (CID 105223752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).